2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane

C9H18F2N2O — CID 145226475

IUPAC2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane
SMILESCC.CC1(NCC(N)=O)CC(F)(F)C1
InChIInChI=1S/C7H12F2N2O.C2H6/c1-6(11-2-5(10)12)3-7(8,9)4-6;1-2/h11H,2-4H2,1H3,(H2,10,12);1-2H3
InChIKeyPPSYMRXOEDVMJJ-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.28
Rot. Bonds3

About 2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane

2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane (PubChem CID 145226475) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane.

Molecular Properties

Compound Name2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane
PubChem CID145226475
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane
SMILESCC.CC1(NCC(N)=O)CC(F)(F)C1
InChIInChI=1S/C7H12F2N2O.C2H6/c1-6(11-2-5(10)12)3-7(8,9)4-6;1-2/h11H,2-4H2,1H3,(H2,10,12);1-2H3
InChIKeyPPSYMRXOEDVMJJ-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane?
The IUPAC name of 2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane (CID 145226475) is 2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane.
What is the SMILES notation for 2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane?
The canonical SMILES for 2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane is CC.CC1(NCC(N)=O)CC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane?
The InChIKey is PPSYMRXOEDVMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O.C2H6/c1-6(11-2-5(10)12)3-7(8,9)4-6;1-2/h11H,2-4H2,1H3,(H2,10,12);1-2H3.
What are the key properties of 2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane?
2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane has a molecular weight of 208.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoro-1-methylcyclobutyl)amino]acetamide;ethane is sourced from PubChem (CID 145226475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).